BDBM17983 1,4-benzoxazin-3-one, 20::N-{2-[6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]ethyl}acetamide::diaminopyrimidine renin inhibitor compound, 6
SMILES CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C)C(=O)N(CCNC(C)=O)c2c1
InChI Key InChIKey=GBXSOZDYCSBLQX-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 5 hits for monomerid = 17983
Affinity DataIC50: 222nMpH: 7.4 T: 22°CAssay Description:The renin assay utilized a tandem Green Flourescent Protein (tGFP) substrate that was hydrolyzed by human rennin. The tGFP substrate contained a nine...More data for this Ligand-Target Pair
3D Structure (crystal)Affinity DataIC50: 20nMpH: 7.4 T: 22°CAssay Description:The renin assay utilized a tandem Green Flourescent Protein (tGFP) substrate that was hydrolyzed by human rennin. The tGFP substrate contained a nine...More data for this Ligand-Target Pair
Affinity DataIC50: 20nMAssay Description:Inhibition of recombinant human reninMore data for this Ligand-Target Pair
Affinity DataIC50: 147nMAssay Description:Inhibition of recombinant human renin using 5-FAM/QXL 520 as substrate pretreated for 30 mins followed by substrate addition measured at 1 min interv...More data for this Ligand-Target Pair
Affinity DataIC50: 20nMAssay Description:Inhibition of human recombinant renin in bufferMore data for this Ligand-Target Pair
Activity Spreadsheet -- ITC Data from BindingDB
Found 1 hit for monomerid = 17983
ITC DataΔG°: -9.62kcal/mole −TΔS°: 1.06kcal/mole ΔH°: -10.7kcal/mole logk: 1.01E+7
pH: 7.0 T: 28.00°C
pH: 7.0 T: 28.00°C